SCHEMBL5224971

SCHEMBL5224971

COc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NC1CC2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4194329 0.86 CHRNA7 (0.56)
SCHEMBL5225535 0.80 TSHR (0.50) ALDH1A1TSHRHSD17B10MAPTKDM4E
SCHEMBL4199022 0.78 CNR1 (0.64) ALDH1A1HPGDNPC1
SCHEMBL5223641 0.77 PPARG (0.52) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL4192846 0.75 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10MAPTKDM4E
SCHEMBL4191620 0.74 POLB (0.63) ALDH1A1TSHRGAAHPGDMEN1
SCHEMBL4193276 0.73 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10MAPTKDM4E
SCHEMBL4188676 0.73 DRD3 (0.56) ALDH1A1HSD17B10KDM4EGAAKMT2A
SCHEMBL5256886 0.73 TSHR (0.58) ALDH1A1TSHRKDM4EGAAMEN1
SCHEMBL4196595 0.72 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed